N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-veratryl-acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O3/c1-4-25(15-17-6-7-18(28-2)19(14-17)29-3)20(27)16-24-10-12-26(13-11-24)21-22-8-5-9-23-21/h5-9,14H,4,10-13,15-16H2,1-3H3/p+1